Aquatic toxicity
Evaluate aquatic toxicity with StarDrop Aquatic Toxicity model.
For the pKa models, the arrow is greyed out until you select some rows in your dataset. The pKa calculations are intensive and might take a couple of minutes for each compound. Therefore, it is recommended to restrict the calculations to specific compounds.
This short video which shows how to run the models and the results you can expect
You can also watch the on-demand webinar that provides details about the science on the algorithm.
More StarDrop resources
AutoDock Models for the StarDrop Pose Generation Interface (PGI)
From the manuscript “DOCKSTRING: Easy Molecular Docking Yields Better Benchmarks for Ligand Design”, Miguel García-Ortegón, Sergio Bacallado, et al¹ have developed…
HTS promiscuity alerts model
Screen for HTS promiscuity with StarDrop HTS Promiscuity Alerts.